chromeno[2,3-d]pyrimidine-2,4-dione

C11H6N2O3 — CID 1403654

IUPACchromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3ccccc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-5H,(H,12,14,15)
InChIKeyBFMCRAXOACCPEL-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.98
Rot. Bonds

About chromeno[2,3-d]pyrimidine-2,4-dione

chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 1403654) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Namechromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID1403654
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Namechromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2oc3ccccc3cc-2c(=O)[nH]1
InChIInChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-5H,(H,12,14,15)
InChIKeyBFMCRAXOACCPEL-UHFFFAOYSA-N
XLogP0.98
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of chromeno[2,3-d]pyrimidine-2,4-dione (CID 1403654) is chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for chromeno[2,3-d]pyrimidine-2,4-dione is O=c1nc2oc3ccccc3cc-2c(=O)[nH]1.
What is the InChIKey of chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BFMCRAXOACCPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c14-9-7-5-6-3-1-2-4-8(6)16-10(7)13-11(15)12-9/h1-5H,(H,12,14,15).
What are the key properties of chromeno[2,3-d]pyrimidine-2,4-dione?
chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 214.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 1403654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).